[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine

C13H19N5 — CID 79525077

IUPAC[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine
SMILESCc1ccc2nnc(C3CCC(CN)CC3)n2n1
InChIInChI=1S/C13H19N5/c1-9-2-7-12-15-16-13(18(12)17-9)11-5-3-10(8-14)4-6-11/h2,7,10-11H,3-6,8,14H2,1H3
InChIKeyVTHXPSWUCHQNLV-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.67
Rot. Bonds2

About [4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine

[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine (PubChem CID 79525077) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is [4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine
PubChem CID79525077
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine
SMILESCc1ccc2nnc(C3CCC(CN)CC3)n2n1
InChIInChI=1S/C13H19N5/c1-9-2-7-12-15-16-13(18(12)17-9)11-5-3-10(8-14)4-6-11/h2,7,10-11H,3-6,8,14H2,1H3
InChIKeyVTHXPSWUCHQNLV-UHFFFAOYSA-N
XLogP1.67
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine?
The IUPAC name of [4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine (CID 79525077) is [4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine is Cc1ccc2nnc(C3CCC(CN)CC3)n2n1.
What is the InChIKey of [4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine?
The InChIKey is VTHXPSWUCHQNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9-2-7-12-15-16-13(18(12)17-9)11-5-3-10(8-14)4-6-11/h2,7,10-11H,3-6,8,14H2,1H3.
What are the key properties of [4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine?
[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine is sourced from PubChem (CID 79525077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).